(S)-1-(4-Hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl acetate
PubChem CID: 91715794
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | [6]-Gingerol monoacetate, DTUNXJRSMOTKGD-KRWDZBQOSA-N, (S)-1-(4-Hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl acetate, 3-Decanone, 5-(acetyloxy)-1-(4-hydroxy-3-methoxyphenyl)-, (5S)- |
|---|---|
| Topological Polar Surface Area | 72.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 382.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(5S)-1-(4-hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C19H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DTUNXJRSMOTKGD-KRWDZBQOSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -3.591 |
| Rotatable Bond Count | 12.0 |
| Logd | 2.018 |
| Compound Name | (S)-1-(4-Hydroxy-3-methoxyphenyl)-3-oxodecan-5-yl acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 336.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 336.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 336.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6372536000000006 |
| Inchi | InChI=1S/C19H28O5/c1-4-5-6-7-17(24-14(2)20)13-16(21)10-8-15-9-11-18(22)19(12-15)23-3/h9,11-12,17,22H,4-8,10,13H2,1-3H3/t17-/m0/s1 |
| Smiles | CCCCC[C@@H](CC(=O)CCC1=CC(=C(C=C1)O)OC)OC(=O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients